Crystallography Open Database

Information card for entry 4073592

Preview

Coordinates	4073592.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex 1a
Formula	C51 H83 Cl N O2 P2 Rh
Calculated formula	C51 H83 Cl N O2 P2 Rh
SMILES	[Rh]12([P](=Cc3[n]2c(C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc3)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl.O(CC)CC.O(CC)CC
Title of publication	Synthesis, Structures, and Catalytic Properties of Late-Transition-Metal 2,6-Bis(2-phosphaethenyl)pyridine Complexes
Authors of publication	Hayashi, Akito; Okazaki, Masaaki; Ozawa, Fumiyuki; Tanaka, Rika
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	21
Pages of publication	5246
a	16.98 ± 0.001 Å
b	33.843 ± 0.002 Å
c	18.534 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	10650.6 ± 1.1 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178624 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35.	4073592.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073592.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073592.cif
46438	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073592 via cif-deposit CGI script.	4073592.cif